[gmx-users] energy unit

Moeed lecielll at googlemail.com
Mon Aug 30 01:08:19 CEST 2010

Dear Justin,

Thanks for your explanation. I am sorry to bother you again. Like you said:
"a mole of a given species in the given configuration would have this energy
in kJ". This is absolutely clear but actually I think increasing the total
energy with system size contradict this statement unless values given by
g_energy are in KJ/system. If there are more interactions in a bigger
system, as you said eventually values refer to mole number of particles
(regardless of number of particles). If there are half  Na (avogardo)
particles, finally energy is multiplied by 2 to get KJ/mole and if there are
10*Na, g_energy divides total energy by 10. Please enlightem me on this
issue. Many thanks

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